N-[(3-bromophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine

C13H17BrN2S — CID 113294190

IUPACN-[(3-bromophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NCc2cccc(Br)c2)SC1
InChIInChI=1S/C13H17BrN2S/c1-13(2)8-16-12(17-9-13)15-7-10-4-3-5-11(14)6-10/h3-6H,7-9H2,1-2H3,(H,15,16)
InChIKeySGLHKFAHCNQMPQ-UHFFFAOYSA-N
MW313.26 g/mol
LogP3.67
Rot. Bonds2

About N-[(3-bromophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine

N-[(3-bromophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 113294190) has the molecular formula C13H17BrN2S and a molecular weight of 313.26 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID113294190
Molecular FormulaC13H17BrN2S
Molecular Weight313.26 g/mol
Exact Mass312.03
IUPAC NameN-[(3-bromophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NCc2cccc(Br)c2)SC1
InChIInChI=1S/C13H17BrN2S/c1-13(2)8-16-12(17-9-13)15-7-10-4-3-5-11(14)6-10/h3-6H,7-9H2,1-2H3,(H,15,16)
InChIKeySGLHKFAHCNQMPQ-UHFFFAOYSA-N
XLogP3.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361676
N-[(3-chlorophenyl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361550
N-[(3-bromophenyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 61410146
5,5-dimethyl-N-(2-thiophen-2-ylethyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 115361150
N-(2,6-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361200
N-(4-bromo-2,6-dimethylphenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 113294326
5,5-dimethyl-N-(2-methylsulfanylethyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 115361656
N-(2-chlorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361144
N-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 12623045
N-[(3-bromophenyl)methyl]-3-methyl-1-propyltetrazol-1-ium-5-amine
CID 123686827
N-(2-cyclopropylethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361732
N-[(3-bromophenyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362509

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 113294190) is N-[(3-bromophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is CC1(C)CN=C(NCc2cccc(Br)c2)SC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is SGLHKFAHCNQMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2S/c1-13(2)8-16-12(17-9-13)15-7-10-4-3-5-11(14)6-10/h3-6H,7-9H2,1-2H3,(H,15,16).
What are the key properties of N-[(3-bromophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-[(3-bromophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 313.26 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 113294190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).